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Search term: AMCFOVGLNPCZBV-NRFANRHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(2,6-Difluorobenzyl)-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione | C30H30F3N3O3

1-(2,6-Difluorobenzyl)-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC30H30F3N3O3
  • Average mass537.573 Da
  • Monoisotopic mass537.223938 Da
  • ChemSpider ID9562011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2,6-Difluorbenzyl)-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluor-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-3-[(2S)-2-(diméthylamino)-3-phénylpropyl]-5-(2-fluoro-3-méthoxyphényl)-6-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(2,6-difluorobenzyl)-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 1-[(2,6-difluorophenyl)methyl]-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl- [ACD/Index Name]
1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-3-phenyl-propyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
CHEMBL116074

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 636.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.8±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 28.93
ACD/KOC (pH 5.5): 58.71
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 890.18
ACD/KOC (pH 7.4): 1806.19
Polar Surface Area: 53 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


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